CHEBI:3583 - Chebulagic acid

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ChEBI Name Chebulagic acid
ChEBI ID CHEBI:3583
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C41H30O27
Net Charge 0
Average Mass 954.662
Monoisotopic Mass 954.09745
InChI InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/t12-,18+,22-,30-,31+,33-,34+,41-/m0/s1
InChIKey HGJXAVROWQLCTP-YABCKIEDSA-N
SMILES O[C@H]1[C@H]2[C@H](CC(O)=O)C(=O)O[C@@H]3[C@H]4COC(=O)c5cc(O)c(O)c(O)c5-c5c(O)c(O)c(O)cc5C(=O)O[C@@H]3[C@@H](OC(=O)c3cc(O)c(O)c(OC1=O)c23)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O4
Roles Classification
Application(s): astringent
A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
(via tannin )
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ChEBI Ontology
Outgoing Chebulagic acid (CHEBI:3583) is a tannin (CHEBI:26848)
Synonym Source
Chebulagic acid KEGG COMPOUND
Manual Xrefs Databases
C00002911 KNApSAcK
C10214 KEGG COMPOUND
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Registry Number Type Source
23094-71-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014